5-[2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)ethoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(6,7-dimethoxy-1-oxo-isochromen-3-yl)ethoxy]-5-oxo-pentanoic acid CAS Name: 5-[2-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)ethoxy]-5-oxopentanoic acid IUPAC Name: 5-[2-(6,7-dimethoxy-1-oxoisochromen-3-yl)ethoxy]-5-oxopentanoic acid Traditional Name: 5-keto-5-[2-(1-keto-6,7-dimethoxy-isochromen-3-yl)ethoxy]valeric acid Formula: C18H20O8 MolecularWeight: 364.3466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCOC(=O)CCCC(=O)O)OC

InChI

InChI=1S/C18H20O8/c1-23-14-9-11-8-12(26-18(22)13(11)10-15(14)24-2)6-7-25-17(21)5-3-4-16(19)20/h8-10H,3-7H2,1-2H3,(H,19,20)